1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride

Systemtic Name: 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride Openeye Name: 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride CAS Name: 1-[4-(3-chlorophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4-piperidin-1-iumyl]-1-butanone dichloride IUPAC Name: 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride Traditional Name: 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride Formula: C22H35Cl3N2O2 MolecularWeight: 465.8845

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(CC[NH+](CC1)CCC[NH+]2CCOCC2)C3=CC(=CC=C3)Cl.[Cl-].[Cl-]

Isomeric SMILES

CCCC(=O)C1(CC[NH+](CC1)CCC[NH+]2CCOCC2)C3=CC(=CC=C3)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C22H33ClN2O2.2ClH/c1-2-5-21(26)22(19-6-3-7-20(23)18-19)8-12-24(13-9-22)10-4-11-25-14-16-27-17-15-25;;/h3,6-7,18H,2,4-5,8-17H2,1H3;2*1H